Triethylamine borane

C6H15BN — CID 6330188

IUPAC—
SMILESCCN(CC)CC.[B]
InChIInChI=1S/C6H15N.B/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;
InChIKeyVEWFZHAHZPVQES-UHFFFAOYSA-N
MW112.00 g/mol
LogP0.97
Rot. Bonds3

About Triethylamine borane

Triethylamine borane (PubChem CID 6330188) has the molecular formula C6H15BN and a molecular weight of 112.00 g/mol.

Molecular Properties

Compound NameTriethylamine borane
PubChem CID6330188
Molecular FormulaC6H15BN
Molecular Weight112.00 g/mol
Exact Mass112.13
IUPAC Name—
SMILESCCN(CC)CC.[B]
InChIInChI=1S/C6H15N.B/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;
InChIKeyVEWFZHAHZPVQES-UHFFFAOYSA-N
XLogP0.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.00
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze Triethylamine borane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Triethylamine borane?
The IUPAC name of Triethylamine borane (CID 6330188) is not available.
What is the SMILES notation for Triethylamine borane?
The canonical SMILES for Triethylamine borane is CCN(CC)CC.[B].
What is the InChIKey of Triethylamine borane?
The InChIKey is VEWFZHAHZPVQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.B/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;.
What are the key properties of Triethylamine borane?
Triethylamine borane has a molecular weight of 112.00 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Triethylamine borane is sourced from PubChem (CID 6330188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).